SCHEMBL15080705

SCHEMBL15080705

CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CC[C@@H](OC(=O)C(C)C)C4)nncc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ ADORA1 P30542 8/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ AMD1 P17707 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12226016 1.00 RXFP1 (0.35) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL15080708 0.88 ADORA1 (0.45) ADORA1
SCHEMBL12226021 0.88 ADORA1 (0.45) ADORA1
SCHEMBL12226013 0.86 RXFP1 (0.35) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL15080702 0.86 RXFP1 (0.35) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL15426677 0.85 ADORA1 (0.48) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL12226014 0.79 ADORA1 (0.36) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL15080706 0.79 ADORA1 (0.36) RXFP1P2RX1P2RX3P2RX4ADORA1
SCHEMBL15080710 0.78 PI4KA (0.47) ADORA1ADORA2BADORA2API4KAPI4K2B
SCHEMBL12226020 0.78 PI4KA (0.47) ADORA1ADORA2BADORA2API4KAPI4K2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476247-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2013-07-02 — — US disclosed
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